N4-(sec-butyl)-5-nitropyrimidine-4,6-diamine
TL;DR: N4-(sec-butyl)-5-nitropyrimidine-4,6-diamine (CAS 201992-14-5) is a chemical compound with molecular formula C8H13N5O2 and molecular weight 211.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-N-butan-2-yl-5-nitropyrimidine-4,6-diamine
Also Known As: N4-(sec-butyl)-5-nitropyrimidine-4,6-diamine, N-sec-Butyl-5-nitro-pyrimidine-4,6-diamine, BAS 00087033, 4-N-butan-2-yl-5-nitropyrimidine-4,6-diamine, 5-nitro-N4-sec-butyl-pyrimidine-4,6-diamine
| Molecular Formula | C8H13N5O2 |
|---|---|
| Molecular Weight | 211.11 g/mol |
| LogP | 1.1774 |
| Topological Polar Surface Area | 106.97 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 211.10692 |
| Heavy Atoms | 15 |
| Complexity | 368.0497 |
Chemical Identifiers
| CAS Number | 201992-14-5 |
|---|---|
| SMILES | CCC(C)NC1=NC=NC(=C1[N+](=O)[O-])N |
Product Overview
N4-(sec-butyl)-5-nitropyrimidine-4,6-diamine (CAS 201992-14-5), with molecular formula C8H13N5O2 and molecular weight 211.11 g/mol. IUPAC: 4-N-butan-2-yl-5-nitropyrimidine-4,6-diamine.
Chemical Property Profile of N4-(sec-butyl)-5-nitropyrimidine-4,6-diamine
Property Insights of N4-(sec-butyl)-5-nitropyrimidine-4,6-diamine
The XLogP value of 1.1774 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N4-(sec-butyl)-5-nitropyrimidine-4,6-diamine. The TPSA of 106.97 Ų falls within the moderate polarity range, balancing permeability and solubility for N4-(sec-butyl)-5-nitropyrimidine-4,6-diamine. Following Lipinski's Rule of Five, N4-(sec-butyl)-5-nitropyrimidine-4,6-diamine has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N4-(sec-butyl)-5-nitropyrimidine-4,6-diamine?
The CAS number of N4-(sec-butyl)-5-nitropyrimidine-4,6-diamine is 201992-14-5.
What is the molecular formula of N4-(sec-butyl)-5-nitropyrimidine-4,6-diamine?
The molecular formula of N4-(sec-butyl)-5-nitropyrimidine-4,6-diamine is C8H13N5O2.
What is the molecular weight of N4-(sec-butyl)-5-nitropyrimidine-4,6-diamine?
The molecular weight of N4-(sec-butyl)-5-nitropyrimidine-4,6-diamine is 211.11 g/mol.
Where can I buy N4-(sec-butyl)-5-nitropyrimidine-4,6-diamine?
You can request a quote for N4-(sec-butyl)-5-nitropyrimidine-4,6-diamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N4-(sec-butyl)-5-nitropyrimidine-4,6-diamine?
Yes, KEHONG BIO provides custom synthesis services for N4-(sec-butyl)-5-nitropyrimidine-4,6-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.